2-ethyloxolan-3-one

C6H10O2 — CID 14919824

IUPAC2-ethyloxolan-3-one
SMILESCCC1OCCC1=O
InChIInChI=1S/C6H10O2/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3
InChIKeyMMVNDIYODKMKAF-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds1

About 2-ethyloxolan-3-one

2-ethyloxolan-3-one (PubChem CID 14919824) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-ethyloxolan-3-one.

Molecular Properties

Compound Name2-ethyloxolan-3-one
PubChem CID14919824
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-ethyloxolan-3-one
SMILESCCC1OCCC1=O
InChIInChI=1S/C6H10O2/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3
InChIKeyMMVNDIYODKMKAF-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxolan-3-one?
The IUPAC name of 2-ethyloxolan-3-one (CID 14919824) is 2-ethyloxolan-3-one.
What is the SMILES notation for 2-ethyloxolan-3-one?
The canonical SMILES for 2-ethyloxolan-3-one is CCC1OCCC1=O.
What is the InChIKey of 2-ethyloxolan-3-one?
The InChIKey is MMVNDIYODKMKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3.
What are the key properties of 2-ethyloxolan-3-one?
2-ethyloxolan-3-one has a molecular weight of 114.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxolan-3-one is sourced from PubChem (CID 14919824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).